ChemSpider 2D Image | (3S)-3-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid | C9H9I2NO3

(3S)-3-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid

  • Molecular FormulaC9H9I2NO3
  • Average mass432.982 Da
  • Monoisotopic mass432.867157 Da
  • ChemSpider ID34989175

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S)-3-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid [ACD/IUPAC Name]
(3S)-3-Amino-3-(4-hydroxy-3,5-diiodphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (3S)-3-amino-3-(4-hydroxy-3,5-diiodophényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-amino-4-hydroxy-3,5-diiodo-, (βS)- [ACD/Index Name]
3734-24-5 [RN]
betazine
UNII-AIK06F3ZZY

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.4±0.1 g/cm3
Boiling Point: 399.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 195.5±27.9 °C
Index of Refraction: 1.747
Molar Refractivity: 73.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 79.9±3.0 dyne/cm
Molar Volume: 180.4±3.0 cm3

Click to predict properties on the Chemicalize site


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